![85E 85E](https://data.pdbj.org/pdbjplus/data/cc/svg/85E.svg) | 85E | 表記: | {7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium | 組成式: | C24 H18 F N6 O | SMILES: | N#Cc1c2ccccc2cc(F)c1c1n(C)ncc1c1ccc2C(=O)NN=C(C[NH3+])c2c1 | InChi: | InChI=1S/C24H17FN6O/c1-31-23(22-18(10-26)15-5-3-2-4-13(15)9-20(22)25)19(12-28-31)14-6-7-16-17(8-14)21(11-27)29-30-24(16)32/h2-9,12H,11,27H2,1H3,(H,30,32)/p+1 | 定義日: | 2021-09-04 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | {7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium |
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![85K 85K](https://data.pdbj.org/pdbjplus/data/cc/svg/85K.svg) | 85K | 表記: | (7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium | 組成式: | C23 H19 Cl F N6 O2 | SMILES: | N#Cc1c(OC2CC2)cc(Cl)c(F)c1c1n(C)ncc1c1ccc2C(=O)NN=C(C[NH3+])c2c1 | InChi: | InChI=1S/C23H18ClFN6O2/c1-31-22(20-15(8-26)19(33-12-3-4-12)7-17(24)21(20)25)16(10-28-31)11-2-5-13-14(6-11)18(9-27)29-30-23(13)32/h2,5-7,10,12H,3-4,9,27H2,1H3,(H,30,32)/p+1 | 定義日: | 2021-09-04 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | (7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium |
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![62S 62S](https://data.pdbj.org/pdbjplus/data/cc/svg/62S.svg) | 62S | 表記: | [(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid | 組成式: | C31 H35 N4 O6 P | SMILES: | N[CH](CCc1ccccc1)[P](O)(=O)C[CH](Cc2onc(c2)c3ccccc3O)C(=O)N[CH](Cc4ccccc4)C(N)=O | InChi: | InChI=1S/C31H35N4O6P/c32-29(16-15-21-9-3-1-4-10-21)42(39,40)20-23(18-24-19-26(35-41-24)25-13-7-8-14-28(25)36)31(38)34-27(30(33)37)17-22-11-5-2-6-12-22/h1-14,19,23,27,29,36H,15-18,20,32H2,(H2,33,37)(H,34,38)(H,39,40)/t23-,27+,29-/m1/s1 | 定義日: | 2021-07-23 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | [(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid |
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![674 674](https://data.pdbj.org/pdbjplus/data/cc/svg/674.svg) | 674 | 表記: | 6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one | 組成式: | C15 H10 O5 | SMILES: | O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)c(O)c3 | InChi: | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H | 定義日: | 2007-08-28 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | 6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one |
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![7OO 7OO](https://data.pdbj.org/pdbjplus/data/cc/svg/7OO.svg) | 7OO | 表記: | [(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid | 組成式: | C37 H44 N3 O4 P | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)C[P](O)(=O)[CH](N)CCc4ccccc4)C(N)=O | InChi: | InChI=1S/C37H44N3O4P/c1-26(2)20-34(36(39)41)40-37(42)33(25-45(43,44)35(38)19-18-27-12-6-3-7-13-27)23-28-21-31(29-14-8-4-9-15-29)24-32(22-28)30-16-10-5-11-17-30/h3-17,21-22,24,26,33-35H,18-20,23,25,38H2,1-2H3,(H2,39,41)(H,40,42)(H,43,44)/t33-,34+,35-/m1/s1 | 定義日: | 2021-08-12 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | [(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid |
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![97L 97L](https://data.pdbj.org/pdbjplus/data/cc/svg/97L.svg) | 97L | 表記: | (2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile | 組成式: | C22 H16 N6 O S | SMILES: | O=C1NN=C(CN)c2cc(ccc12)c1cnn(C)c1c1sc2ccccc2c1C#N | InChi: | InChI=1S/C22H16N6OS/c1-28-20(21-16(9-23)13-4-2-3-5-19(13)30-21)17(11-25-28)12-6-7-14-15(8-12)18(10-24)26-27-22(14)29/h2-8,11H,10,24H2,1H3,(H,27,29) | 定義日: | 2021-10-05 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | (2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile |
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![97X 97X](https://data.pdbj.org/pdbjplus/data/cc/svg/97X.svg) | 97X | 表記: | (2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile | 組成式: | C24 H18 N6 O | SMILES: | N#Cc1c2ccccc2ccc1c1n(C)ncc1c1ccc2C(=O)NN=C(CN)c2c1 | InChi: | InChI=1S/C24H18N6O/c1-30-23(17-8-6-14-4-2-3-5-16(14)20(17)11-25)21(13-27-30)15-7-9-18-19(10-15)22(12-26)28-29-24(18)31/h2-10,13H,12,26H2,1H3,(H,29,31) | 定義日: | 2021-10-05 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | (2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile |
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![EY3 EY3](https://data.pdbj.org/pdbjplus/data/cc/svg/EY3.svg) | EY3 | 表記: | 5-propan-2-yloxy-1H-indole | 組成式: | C11 H13 N O | SMILES: | CC(C)Oc1ccc2[nH]ccc2c1 | InChi: | InChI=1S/C11H13NO/c1-8(2)13-10-3-4-11-9(7-10)5-6-12-11/h3-8,12H,1-2H3 | 定義日: | 2020-02-18 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | 5-propan-2-yloxy-1~{H}-indole |
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![XUM XUM](https://data.pdbj.org/pdbjplus/data/cc/svg/XUM.svg) | XUM | 表記: | diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 組成式: | C33 H47 N2 O13 P S | SMILES: | C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)C)S(c4cc5c(cc4)OCO5)(=O)=O)O | InChi: | InChI=1S/C33H47N2O13PS/c1-5-46-49(38,47-6-2)21-45-24-9-7-23(8-10-24)15-27(34-33(37)48-31-19-42-32-26(31)13-14-41-32)28(36)18-35(17-22(3)4)50(39,40)25-11-12-29-30(16-25)44-20-43-29/h7-12,16,22,26-28,31-32,36H,5-6,13-15,17-21H2,1-4H3,(H,34,37)/t26-,27-,28+,31-,32+/m0/s1 | 定義日: | 2021-01-14 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![XUP XUP](https://data.pdbj.org/pdbjplus/data/cc/svg/XUP.svg) | XUP | 表記: | diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 組成式: | C33 H46 N3 O11 P S2 | SMILES: | C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)C)S(c4cc5c(cc4)ncs5)(=O)=O)O | InChi: | InChI=1S/C33H46N3O11PS2/c1-5-45-48(39,46-6-2)21-44-24-9-7-23(8-10-24)15-28(35-33(38)47-30-19-43-32-26(30)13-14-42-32)29(37)18-36(17-22(3)4)50(40,41)25-11-12-27-31(16-25)49-20-34-27/h7-12,16,20,22,26,28-30,32,37H,5-6,13-15,17-19,21H2,1-4H3,(H,35,38)/t26-,28-,29+,30-,32+/m0/s1 | 定義日: | 2021-01-14 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![XUS XUS](https://data.pdbj.org/pdbjplus/data/cc/svg/XUS.svg) | XUS | 表記: | diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 組成式: | C33 H50 N3 O11 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)N)(=O)=O)O | InChi: | InChI=1S/C33H50N3O11PS/c1-5-23(4)19-36(49(40,41)27-14-10-25(34)11-15-27)20-30(37)29(35-33(38)47-31-21-43-32-28(31)16-17-42-32)18-24-8-12-26(13-9-24)44-22-48(39,45-6-2)46-7-3/h8-15,23,28-32,37H,5-7,16-22,34H2,1-4H3,(H,35,38)/t23-,28-,29-,30+,31-,32+/m0/s1 | 定義日: | 2021-01-14 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![XUV XUV](https://data.pdbj.org/pdbjplus/data/cc/svg/XUV.svg) | XUV | 表記: | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate | 組成式: | C34 H51 N2 O12 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)OC)(=O)=O)O | InChi: | InChI=1S/C34H51N2O12PS/c1-6-24(4)20-36(50(40,41)28-15-13-26(42-5)14-16-28)21-31(37)30(35-34(38)48-32-22-44-33-29(32)17-18-43-33)19-25-9-11-27(12-10-25)45-23-49(39,46-7-2)47-8-3/h9-16,24,29-33,37H,6-8,17-23H2,1-5H3,(H,35,38)/t24-,29-,30-,31+,32-,33+/m0/s1 | 定義日: | 2021-01-14 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate |
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![XVJ XVJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XVJ.svg) | XVJ | 表記: | diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 組成式: | C34 H48 N3 O11 P S2 | SMILES: | C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)CC)S(c4cc5c(cc4)ncs5)(=O)=O)O | InChi: | InChI=1S/C34H48N3O11PS2/c1-5-23(4)18-37(51(41,42)26-12-13-28-32(17-26)50-21-35-28)19-30(38)29(36-34(39)48-31-20-44-33-27(31)14-15-43-33)16-24-8-10-25(11-9-24)45-22-49(40,46-6-2)47-7-3/h8-13,17,21,23,27,29-31,33,38H,5-7,14-16,18-20,22H2,1-4H3,(H,36,39)/t23-,27-,29-,30+,31-,33+/m0/s1 | 定義日: | 2021-01-15 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![XVM XVM](https://data.pdbj.org/pdbjplus/data/cc/svg/XVM.svg) | XVM | 表記: | diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 組成式: | C34 H49 N2 O13 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4cc5c(cc4)OCO5)(=O)=O)O | InChi: | InChI=1S/C34H49N2O13PS/c1-5-23(4)18-36(51(40,41)26-12-13-30-31(17-26)45-21-44-30)19-29(37)28(35-34(38)49-32-20-43-33-27(32)14-15-42-33)16-24-8-10-25(11-9-24)46-22-50(39,47-6-2)48-7-3/h8-13,17,23,27-29,32-33,37H,5-7,14-16,18-22H2,1-4H3,(H,35,38)/t23-,27-,28-,29+,32-,33+/m0/s1 | 定義日: | 2021-01-15 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![XVP XVP](https://data.pdbj.org/pdbjplus/data/cc/svg/XVP.svg) | XVP | 表記: | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate | 組成式: | C34 H51 N2 O12 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)CO)(=O)=O)O | InChi: | InChI=1S/C34H51N2O12PS/c1-5-24(4)19-36(50(41,42)28-14-10-26(21-37)11-15-28)20-31(38)30(35-34(39)48-32-22-44-33-29(32)16-17-43-33)18-25-8-12-27(13-9-25)45-23-49(40,46-6-2)47-7-3/h8-15,24,29-33,37-38H,5-7,16-23H2,1-4H3,(H,35,39)/t24-,29-,30-,31+,32-,33+/m0/s1 | 定義日: | 2021-01-15 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate |
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![XVS XVS](https://data.pdbj.org/pdbjplus/data/cc/svg/XVS.svg) | XVS | 表記: | diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 組成式: | C35 H53 N2 O12 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4ccc(cc4)OC)(=O)=O)O | InChi: | InChI=1S/C35H53N2O12PS/c1-6-25(7-2)21-37(51(41,42)29-16-14-27(43-5)15-17-29)22-32(38)31(36-35(39)49-33-23-45-34-30(33)18-19-44-34)20-26-10-12-28(13-11-26)46-24-50(40,47-8-3)48-9-4/h10-17,25,30-34,38H,6-9,18-24H2,1-5H3,(H,36,39)/t30-,31-,32+,33-,34+/m0/s1 | 定義日: | 2021-01-15 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![XVV XVV](https://data.pdbj.org/pdbjplus/data/cc/svg/XVV.svg) | XVV | 表記: | diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 組成式: | C35 H50 N3 O11 P S2 | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4cc5c(cc4)ncs5)(=O)=O)O | InChi: | InChI=1S/C35H50N3O11PS2/c1-5-24(6-2)19-38(52(42,43)27-13-14-29-33(18-27)51-22-36-29)20-31(39)30(37-35(40)49-32-21-45-34-28(32)15-16-44-34)17-25-9-11-26(12-10-25)46-23-50(41,47-7-3)48-8-4/h9-14,18,22,24,28,30-32,34,39H,5-8,15-17,19-21,23H2,1-4H3,(H,37,40)/t28-,30-,31+,32-,34+/m0/s1 | 定義日: | 2021-01-15 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![XVY XVY](https://data.pdbj.org/pdbjplus/data/cc/svg/XVY.svg) | XVY | 表記: | diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 組成式: | C35 H53 N2 O12 P S | SMILES: | C(C(NC(OC1C2C(OC1)OCC2)=O)Cc3ccc(OCP(OCC)(OCC)=O)cc3)(CN(CC(CC)CC)S(c4ccc(cc4)CO)(=O)=O)O | InChi: | InChI=1S/C35H53N2O12PS/c1-5-25(6-2)20-37(51(42,43)29-15-11-27(22-38)12-16-29)21-32(39)31(36-35(40)49-33-23-45-34-30(33)17-18-44-34)19-26-9-13-28(14-10-26)46-24-50(41,47-7-3)48-8-4/h9-16,25,30-34,38-39H,5-8,17-24H2,1-4H3,(H,36,40)/t30-,31-,32+,33-,34+/m0/s1 | 定義日: | 2021-01-15 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![XW4 XW4](https://data.pdbj.org/pdbjplus/data/cc/svg/XW4.svg) | XW4 | 表記: | diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 組成式: | C35 H51 N2 O13 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(=O)OC2COC3C2CCO3)(CN(CC(CC)CC)S(c4cc5c(cc4)OCO5)(=O)=O)O | InChi: | InChI=1S/C35H51N2O13PS/c1-5-24(6-2)19-37(52(41,42)27-13-14-31-32(18-27)46-22-45-31)20-30(38)29(36-35(39)50-33-21-44-34-28(33)15-16-43-34)17-25-9-11-26(12-10-25)47-23-51(40,48-7-3)49-8-4/h9-14,18,24,28-30,33-34,38H,5-8,15-17,19-23H2,1-4H3,(H,36,39)/t28-,29-,30+,33-,34+/m0/s1 | 定義日: | 2021-01-15 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![YG1 YG1](https://data.pdbj.org/pdbjplus/data/cc/svg/YG1.svg) | YG1 | 表記: | N-{(11S)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4H,10H-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide | 組成式: | C24 H23 N3 O3 | SMILES: | CC(=O)Nc1ccc2Cn3nc(cc3COc2c1)c1ccccc1C#CCCCO | InChi: | InChI=1S/C24H23N3O3/c1-17(29)25-20-11-10-19-15-27-21(16-30-24(19)13-20)14-23(26-27)22-9-5-4-8-18(22)7-3-2-6-12-28/h4-5,8-11,13-14,28H,2,6,12,15-16H2,1H3,(H,25,29) | 定義日: | 2021-03-01 | 最終更新日: | 2022-01-21 | 公開日: | 2022-01-26 | 識別子(ID): | N-{(11S)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4H,10H-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide |
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![UJW UJW](https://data.pdbj.org/pdbjplus/data/cc/svg/UJW.svg) | UJW | 表記: | 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide | 組成式: | C13 H15 N3 S | SMILES: | NCCc1sc(cc1c2ccccc2)C(N)=N | InChi: | InChI=1S/C13H15N3S/c14-7-6-11-10(8-12(17-11)13(15)16)9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H3,15,16) | 別名: | 5-(2-aminoethyl)-4-phenylthiophene-2-carboximidamide | 定義日: | 2021-02-25 | 最終更新日: | 2022-01-20 | 公開日: | 2022-01-12 | 識別子(ID): | 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide |
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![HKR HKR](https://data.pdbj.org/pdbjplus/data/cc/svg/HKR.svg) | HKR | 表記: | 1-propylimidazole-2-carboxylic acid | 組成式: | C7 H10 N2 O2 | SMILES: | CCCn1ccnc1C(O)=O | InChi: | InChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(9)7(10)11/h3,5H,2,4H2,1H3,(H,10,11) | 定義日: | 2021-01-19 | 最終更新日: | 2022-01-14 | 公開日: | 2022-01-19 | 識別子(ID): | 1-propylimidazole-2-carboxylic acid |
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![HKU HKU](https://data.pdbj.org/pdbjplus/data/cc/svg/HKU.svg) | HKU | 表記: | 1-propan-2-ylimidazole-2-carboxylic acid | 組成式: | C7 H10 N2 O2 | SMILES: | CC(C)n1ccnc1C(O)=O | InChi: | InChI=1S/C7H10N2O2/c1-5(2)9-4-3-8-6(9)7(10)11/h3-5H,1-2H3,(H,10,11) | 定義日: | 2021-01-19 | 最終更新日: | 2022-01-14 | 公開日: | 2022-01-19 | 識別子(ID): | 1-propan-2-ylimidazole-2-carboxylic acid |
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![HL3 HL3](https://data.pdbj.org/pdbjplus/data/cc/svg/HL3.svg) | HL3 | 表記: | 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid | 組成式: | C8 H12 N2 O2 | SMILES: | CC[CH](C)n1ccnc1C(O)=O | InChi: | InChI=1S/C8H12N2O2/c1-3-6(2)10-5-4-9-7(10)8(11)12/h4-6H,3H2,1-2H3,(H,11,12)/t6-/m1/s1 | 定義日: | 2021-01-19 | 最終更新日: | 2022-01-14 | 公開日: | 2022-01-19 | 識別子(ID): | 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid |
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![HLF HLF](https://data.pdbj.org/pdbjplus/data/cc/svg/HLF.svg) | HLF | 表記: | 1-but-3-enylimidazole-2-carboxylic acid | 組成式: | C8 H10 N2 O2 | SMILES: | OC(=O)c1nccn1CCC=C | InChi: | InChI=1S/C8H10N2O2/c1-2-3-5-10-6-4-9-7(10)8(11)12/h2,4,6H,1,3,5H2,(H,11,12) | 定義日: | 2021-01-19 | 最終更新日: | 2022-01-14 | 公開日: | 2022-01-19 | 識別子(ID): | 1-but-3-enylimidazole-2-carboxylic acid |
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